12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione

C20H15NO3 — CID 7728366

IUPAC12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione
SMILESCCc1ccn2c3c(c(C(C)=O)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H15NO3/c1-3-12-8-9-21-15(10-12)16(11(2)22)17-18(21)20(24)14-7-5-4-6-13(14)19(17)23/h4-10H,3H2,1-2H3
InChIKeyISMSIMLCWRNVSL-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.48
Rot. Bonds2

About 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione

12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione (PubChem CID 7728366) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione.

Molecular Properties

Compound Name12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione
PubChem CID7728366
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione
SMILESCCc1ccn2c3c(c(C(C)=O)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H15NO3/c1-3-12-8-9-21-15(10-12)16(11(2)22)17-18(21)20(24)14-7-5-4-6-13(14)19(17)23/h4-10H,3H2,1-2H3
InChIKeyISMSIMLCWRNVSL-UHFFFAOYSA-N
XLogP3.48
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
CID 57402275
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione
CID 57333081
11-acetylindolizino[3,2-g]quinoline-5,12-dione
CID 44567516
1,2-diethyl-3-propanoylbenzo[f]indole-4,9-dione
CID 101075588
N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide
CID 1090906
3-acetyl-1-(4-bromophenyl)-2-methylbenzo[f]indole-4,9-dione
CID 72702296
3-ethylfluoren-9-one
CID 11344805
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
1,3-diethylanthracene-9,10-dione
CID 22321054
12-(4-chlorobenzoyl)-1-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),4,6,8,12,14,16,18,20-nonaene-3,10-dione
CID 57333331
3-acetyl-1-methylbenzo[f]indazole-4,9-dione
CID 101064119

Frequently Asked Questions

What is the IUPAC name of 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione?
The IUPAC name of 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione (CID 7728366) is 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione.
What is the SMILES notation for 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione?
The canonical SMILES for 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione is CCc1ccn2c3c(c(C(C)=O)c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione?
The InChIKey is ISMSIMLCWRNVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-3-12-8-9-21-15(10-12)16(11(2)22)17-18(21)20(24)14-7-5-4-6-13(14)19(17)23/h4-10H,3H2,1-2H3.
What are the key properties of 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione?
12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione has a molecular weight of 317.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione is sourced from PubChem (CID 7728366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).